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OrgMassSpecR (version 0.4-4)
Organic Mass Spectrometry
Description
Organic/biological mass spectrometry data analysis.
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Install
install.packages('OrgMassSpecR')
Monthly Downloads
405
Version
0.4-4
License
BSD_2_clause + file LICENSE
Maintainer
Nathan Dodder
Last Published
May 23rd, 2014
Functions in OrgMassSpecR (0.4-4)
Search functions
example.chromatogram.single
Example Chromatograms
ReadMspFile
Read in a MSP Formatted Mass Spectrum
example.spectrum.peptide
Example Peptide Fragmentation Spectrum
DeadVolume
Internal volume of tubing.
FlowTime
Solvent transit time.
DrawChromatogram
Plot a Chromatogram
example.spectrum.labeled
Example MALDI-TOF Spectrum of Nitrogen-15 Labeled Peptide
SpectrumSimilarity
Similarity Between Two Mass Spectra
ReadMspDirectory
Read in MSP Formatted Mass Spectra
IsotopicDistributionN
Isotopic Distribution of a Nitrogen-15 Labeled Peptide.
MolecularWeight
Calculate the molecular weight of an organic molecule.
PeptideSpectrum
Plot Annotated Peptide Fragmentation Mass Spectrum
example.spectrum.unknown
Example EI Fragmentation Spectra
OrgMassSpecR-package
Organic Mass Spectrometry
FragmentPeptide
Predict Peptide Fragment Ions
ListFormula
Convert an Elemental Formula to a List
ExchangeableAmides
Determine the Number of Backbone Amide Hydrogens
MonoisotopicMass
Calculate the monoisotopic mass or monoisotopic m/z value of an organic molecule.
IsotopicDistribution
Isotopic Distribution of an Organic Molecule.
example.sequence
Human Serum Albumin Amino Acid Sequence
Digest
Predict Peptides Resulting from Enzymatic Digest
ConvertPeptide
Convert peptide sequence.
WriteMspFile
Write Spectra to the NIST MSP Text Format
IsotopicDistributionHDX
Isotopic Distribution of a Peptide Undergoing H-D Exchange
RetentionIndex
Non-Isothermal Retention Index Calculation
ConvertConcentration
Convert Concentration Basis